Acetic Acid

Acetic Acid

SCHEMBL4386219

CC(=O)O.N=C(N)C(F)(F)C(F)(F)OC(F)(F)F

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4384279 0.88 THRB (0.31)
Trifluoroacetic Acid SCHEMBL4380762 0.88
SCHEMBL24238946 0.87
Trifluoromethanesulfonic Acid SCHEMBL4384106 0.78 F2 (0.33)
SCHEMBL4386089 0.73
SCHEMBL4383207 0.71 THRB (0.40)
SCHEMBL3183149 0.66
SCHEMBL4377505 0.66 DGAT1 (0.33)
SCHEMBL22118451 0.64
Acetic Acid SCHEMBL27868658 0.64 FFAR3 (0.50)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044146-B1 SCORCH SAFE FLUOROPOLYMER COMPOSITIONS 3M INNOVATIVE PROPERTIES CO (US) 2017-05-10 EP disclosed
EP-2044146-A1 SCORCH SAFE FLUOROPOLYMER COMPOSITIONS 3M Innovative Properties Company (US) 2009-04-08 EP disclosed
WO-2008014119-A1 SCORCH SAFE FLUOROPOLYMER COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-31 WO disclosed
US-20080021148-A1 SCORCH SAFE FLUOROPOLYMER COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2008-01-24 US disclosed